1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine

C20H20N4S — CID 24809094

IUPAC1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine
SMILESCN1Cc2c(Sc3ccccc3)ncnc2N(C)C1c1ccccc1
InChIInChI=1S/C20H20N4S/c1-23-13-17-18(24(2)20(23)15-9-5-3-6-10-15)21-14-22-19(17)25-16-11-7-4-8-12-16/h3-12,14,20H,13H2,1-2H3
InChIKeyJEWCFZISSSROJC-UHFFFAOYSA-N
MW348.48 g/mol
LogP4.21
Rot. Bonds3

About 1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine

1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine (PubChem CID 24809094) has the molecular formula C20H20N4S and a molecular weight of 348.48 g/mol. Its IUPAC name is 1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine.

Molecular Properties

Compound Name1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine
PubChem CID24809094
Molecular FormulaC20H20N4S
Molecular Weight348.48 g/mol
Exact Mass348.14
IUPAC Name1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine
SMILESCN1Cc2c(Sc3ccccc3)ncnc2N(C)C1c1ccccc1
InChIInChI=1S/C20H20N4S/c1-23-13-17-18(24(2)20(23)15-9-5-3-6-10-15)21-14-22-19(17)25-16-11-7-4-8-12-16/h3-12,14,20H,13H2,1-2H3
InChIKeyJEWCFZISSSROJC-UHFFFAOYSA-N
XLogP4.21
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine?
The IUPAC name of 1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine (CID 24809094) is 1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine.
What is the SMILES notation for 1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine?
The canonical SMILES for 1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine is CN1Cc2c(Sc3ccccc3)ncnc2N(C)C1c1ccccc1.
What is the InChIKey of 1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine?
The InChIKey is JEWCFZISSSROJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S/c1-23-13-17-18(24(2)20(23)15-9-5-3-6-10-15)21-14-22-19(17)25-16-11-7-4-8-12-16/h3-12,14,20H,13H2,1-2H3.
What are the key properties of 1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine?
1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine has a molecular weight of 348.48 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-phenyl-5-phenylsulfanyl-2,4-dihydropyrimido[4,5-d]pyrimidine is sourced from PubChem (CID 24809094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).